| CAS Number | 1240528-32-8 |
| Catalog Number | AG01A9R3 |
| Chemical Name | 4-(1H-1,3-benzodiazol-1-yl)benzoic acid hydrochloride |
| IUPAC Name | 4-(benzimidazol-1-yl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C14H10N2O2.ClH/c17-14(18)10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16;/h1-9H,(H,17,18);1H |
| InChI Key | BGQKHOJPXHEWIO-UHFFFAOYSA-N |
| MDL Number | MFCD16622199 |
| Molecular Formula | C14H11ClN2O2 |
| Molecular Weight | 274.7023 |
| SMILES | Cl.OC(C1=CC=C(N2C3=C(C=CC=C3)N=C2)C=C1)=O |
| Synonyms | 4-(1H-1,3-benzodiazol-1-yl)benzoic acid hydrochloride,
1240528-32-8,
AC1Q3EXO,
NE16027,
EN300-65889,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.704g/mol |
| Monoisotopic Mass | 274.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number